4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol

C13H17N3O — CID 112668893

IUPAC4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
SMILESCCc1nn(C)cc1CNc1ccc(O)cc1
InChIInChI=1S/C13H17N3O/c1-3-13-10(9-16(2)15-13)8-14-11-4-6-12(17)7-5-11/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyXXGAUOJAOZNRCA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.30
Rot. Bonds4

About 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol (PubChem CID 112668893) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
PubChem CID112668893
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
SMILESCCc1nn(C)cc1CNc1ccc(O)cc1
InChIInChI=1S/C13H17N3O/c1-3-13-10(9-16(2)15-13)8-14-11-4-6-12(17)7-5-11/h4-7,9,14,17H,3,8H2,1-2H3
InChIKeyXXGAUOJAOZNRCA-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 83089718
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 115989727

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol (CID 112668893) is 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol is CCc1nn(C)cc1CNc1ccc(O)cc1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol?
The InChIKey is XXGAUOJAOZNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13-10(9-16(2)15-13)8-14-11-4-6-12(17)7-5-11/h4-7,9,14,17H,3,8H2,1-2H3.
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol?
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol is sourced from PubChem (CID 112668893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).